IBS-ZINC03985117 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 -0.1140 1.0350 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.3320 3.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 3.7090 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 3.8740 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 4.8300 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 5.8710 5.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 6.5920 5.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 6.3130 5.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 5.2890 4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 4.5400 3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 3.4830 2.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 3.0730 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 3.0920 2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 1.9690 1.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4250 1.0120 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 2.0000 0.5920 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4440 3.3220 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 4.1200 -0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 4.9700 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 3.7720 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 4.5500 -0.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 2.6300 0.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 1.7030 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 0.6730 1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 2.3880 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2600 2.9100 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6160 2.6720 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2570 1.9110 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 1.3880 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1800 1.6310 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5930 1.6760 0.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1880 0.8840 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 3.6510 -0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.1000 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 1.1780 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 0.9980 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 2.2630 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 1.5540 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 3.7700 4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 4.4900 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 6.0970 5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 7.4040 6.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 6.9140 5.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 5.0810 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 3.5030 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1790 3.0780 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0350 0.7960 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6180 1.2280 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7180 -0.0990 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2540 0.7740 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0440 1.3740 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 1.2010 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 2.1530 1.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 53 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 33 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 M END